SCHEMBL6207514

SCHEMBL6207514

CC(C)C[C@@H](N)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD4 P21917 3/20 0.56
KMT2A Q03164 2/20 0.56
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
POLB P06746 1/20 0.56
DPP7 Q9UHL4 1/20 0.55
KCNH2 Q12809 1/20 0.54
MEN1 O00255 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4846139 1.00 SIGMAR1 (0.60) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL4846164 1.00 SIGMAR1 (0.60) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL7408973 0.93 BACE1 (0.56) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL7401888 0.93 BACE1 (0.56) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL17152610 0.93 BACE1 (0.56) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL17152549 0.88 SIGMAR1 (0.57) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL17152225 0.88 SIGMAR1 (0.61) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL4848461 0.88 SIGMAR1 (0.65) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4
SCHEMBL17152245 0.87 SIGMAR1 (0.62) SIGMAR1ALDH1A1CYP2C19KMT2APOLB
SCHEMBL17152596 0.87 SIGMAR1 (0.59) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100418951-C Cycloamine derivative and its use as medicine TEIJIN KASEI LTD (JP) 2008-09-17 CN disclosed
CN-1240699-C Therapeutic or prophylactic agent for chemokine-associated diseases TEIJIN LTD (JP) 2006-02-08 CN disclosed
CN-1660815-A Cyclic amine derivatives and their use as drugs TEIJIN LTD (JP) 2005-08-31 CN disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
CN-1496981-A Cyclic amine derivatives and their use as pharmaceuticals ������������ʽ���� 2004-05-19 CN disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
CN-1279668-A Cyclic amine derivatives and their use as pharmaceuticals TEIJIN LTD (JP) 2001-01-10 CN disclosed